2-[(3E)-6-bromanyl-5-methylsulfanyl-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol

Systemtic Name: 2-[(3E)-6-bromanyl-5-methylsulfanyl-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-1-benzylidene-5-bromo-6-methylsulfanyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-6-bromo-5-(methylthio)-3-(phenylmethylene)-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-6-bromo-5-methylsulfanyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-5-bromo-6-(methylthio)isoindolin-2-yl]phenol Formula: C22H18BrNOS MolecularWeight: 424.35342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)C4=CC=CC=C4O)Br

Isomeric SMILES

CSC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)Br

InChI

InChI=1S/C22H18BrNOS/c1-26-22-13-17-16(12-18(22)23)14-24(19-9-5-6-10-21(19)25)20(17)11-15-7-3-2-4-8-15/h2-13,25H,14H2,1H3/b20-11+